SCHEMBL19743700

SCHEMBL19743700

Cc1nonc1Cn1nnc2c(=O)nc(C(F)(F)c3ccccc3)[nH]c21.Cc1nonc1Cn1nnc2c(Cl)nc(C(F)(F)c3ccccc3)nc21

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 18/20 0.57
CNR1 P21554 4/20 0.50
RAD51 Q06609 1/20 0.39
KMT2A Q03164 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19744182 0.89 CNR2 (0.53) CNR2CNR1RAD51KMT2A
SCHEMBL19743555 0.88 CNR2 (0.65) CNR2CNR1
SCHEMBL19743667 0.73 CNR2 (0.44) CNR2CNR1
SCHEMBL19743556 0.73 CNR2 (1.00) CNR2CNR1
SCHEMBL17731800 0.72 CNR2 (0.62) CNR2CNR1
SCHEMBL19743563 0.72 RAD51 (0.44) CNR2RAD51KMT2A
SCHEMBL28688747 0.72 CNR2 (0.78) CNR2CNR1
SCHEMBL19743579 0.70 CNR2 (0.49) CNR2RAD51KMT2A
SCHEMBL19743982 0.70 CNR2 (0.78) CNR2CNR1
SCHEMBL21860773 0.69 CNR2 (0.39) CNR2CNR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3475282-A1 [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES WITH AFFINITY FOR THE TYPE-2 CANNABINOID RECEPTOR H. Hoffnabb-La Roche Ag (CH) 2019-05-01 EP disclosed
WO-2017220517-A1 [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES WITH AFFINITY FOR THE TYPE-2 CANNABINOID RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2017-12-28 WO disclosed